{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.013304200000000004 0.4823341000000001 -0.2504852000000001 ] [ 0.17954660000000003 0.027761300000000006 -0.049146700000000015 ] [ 0.2667107000000001 0.30603330000000006 -0.5414917000000001 ] [ 0.3637519000000001 -0.033181300000000004 -0.022430500000000003 ] [ -0.13180940000000002 -0.36495260000000007 -0.33291470000000006 ] [ -0.09938550000000003 -0.27124750000000003 0.4936532000000001 ] [ -0.5413159000000001 -0.23804060000000005 0.050089000000000015 ] [ -0.05080240000000001 0.09129310000000002 0.6527266000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.131567819844737e-11 7.727844184346094e-10 -4.013215312964123e-10 ] [ 2.876653648641293e-10 4.447850582301505e-11 -7.87416937294714e-11 ] [ 4.273176480572027e-10 4.903193984462728e-10 -8.675653420972476e-10 ] [ 5.827947899515797e-10 -5.316230310775105e-11 -3.59376226928544e-11 ] [ -2.111819390816756e-10 -5.847185234201742e-10 -5.333881490606459e-10 ] [ -1.592331245465184e-10 -4.34586402950448e-10 7.909196158231068e-10 ] [ -8.672836794473109e-10 -3.813830841212045e-10 8.025142475925122e-11 ] [ -8.139441756052995e-11 1.462676704603565e-10 1.045783298294274e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 154.35398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.473023380834308e-17 } }